(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane

C10H16Br2ClF3 — CID 94841903

IUPAC(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane
SMILESCCCCCC[C@@H](Br)C[C@](F)(Cl)C(F)(F)Br
InChIInChI=1S/C10H16Br2ClF3/c1-2-3-4-5-6-8(11)7-9(13,14)10(12,15)16/h8H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyIVXKUGOCECZHGU-RKDXNWHRSA-N
MW388.49 g/mol
LogP6.00
Rot. Bonds8

About (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane

(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane (PubChem CID 94841903) has the molecular formula C10H16Br2ClF3 and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane.

Molecular Properties

Compound Name(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane
PubChem CID94841903
Molecular FormulaC10H16Br2ClF3
Molecular Weight388.49 g/mol
Exact Mass385.93
IUPAC Name(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane
SMILESCCCCCC[C@@H](Br)C[C@](F)(Cl)C(F)(F)Br
InChIInChI=1S/C10H16Br2ClF3/c1-2-3-4-5-6-8(11)7-9(13,14)10(12,15)16/h8H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyIVXKUGOCECZHGU-RKDXNWHRSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1,6-dibromododecane
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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane?
The IUPAC name of (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane (CID 94841903) is (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane.
What is the SMILES notation for (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane?
The canonical SMILES for (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane is CCCCCC[C@@H](Br)C[C@](F)(Cl)C(F)(F)Br.
What is the InChIKey of (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane?
The InChIKey is IVXKUGOCECZHGU-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16Br2ClF3/c1-2-3-4-5-6-8(11)7-9(13,14)10(12,15)16/h8H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane?
(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane has a molecular weight of 388.49 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane is sourced from PubChem (CID 94841903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).